BDBM289653 6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5 (6H)-one::US10092575, Example 141::US10376514, Example 141
SMILES: COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1
InChI Key: InChIKey=FOZFBBKUKXGMND-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | <100 | n/a | n/a | n/a | 25 |
Dart NeuroScience (Cayman) Ltd. US Patent | Assay Description The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or cGMP substrate, DMSO tolerance, and incubation time. Into e... | US Patent US10092575 (2018) BindingDB Entry DOI: 10.7270/Q2514181 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart NeuroScience (Cayman) Ltd US Patent | Assay Description The selectivity of compounds of the present invention was determined using a panel of recombinant human PDEs and an in vitro enzymatic assay (BPS Bio... | US Patent US10376514 (2019) BindingDB Entry DOI: 10.7270/Q2ST7S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 6C (PDE6C) (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of PDE4D3 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured afte... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 11A (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE11A4 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in ... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 8 (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE8A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in F... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE9A2 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in F... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 7 (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged recombinant human PDE7A1 (122-end residues) expressed in Baculovirus infected Sf9 insect cells assessed as decrea... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 2 and 5 (PDE2 and PDE5) (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE5A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in F... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 3 and 5 (PDE3 and PDE5) (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibitory activity tested against human calpain 1 in Molt-4 cells (intact human T-cell leukemia cell line) | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC Curated by ChEMBL | Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... | J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human)) | BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | 25 |
DART NEUROSCIENCE (CAYMAN) LTD. US Patent | Assay Description PDE1B inhibition was determined by an IMAP TR-FRET assay. The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or c... | US Patent US10105367 (2018) BindingDB Entry DOI: 10.7270/Q2KW5J3Q | |||||||||||
More data for this Ligand-Target Pair |